UCSF

ZINC36137785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.17 4.64 -47.9 1 5 -1 78 272.227 7
Lo Low (pH 4.5-6) 1.17 2.66 -10.88 2 5 0 76 273.235 7

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )